SCHEMBL4802335

SCHEMBL4802335

Clc1ccc(-c2nc(OCc3cccc(Cl)c3)ncc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.54
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DHFR P00374 1/20 0.43
BACE1 P56817 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4808893 0.91 CNR1 (0.46) CNR1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4801288 0.90 CNR1 (0.47) CNR1LMNAMAPTNPSR1USP2
SCHEMBL4808211 0.88 CNR1 (0.43) CNR1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4808602 0.86 CNR1 (0.56) CNR1CNR2
SCHEMBL4801542 0.85 CNR1 (0.55) CNR1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4803775 0.82 CNR1 (0.39) CNR1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4810400 0.82 CNR1 (0.53) CNR1CNR2
SCHEMBL4811623 0.81 ALDH1A1 (0.41) CNR1LMNAUSP2ALDH1A1CYP1A2
SCHEMBL4806919 0.81 CNR1 (0.51) CNR1CNR2
SCHEMBL14107191 0.81 CNR1 (0.40) CNR1LMNAUSP2ALDH1A1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US claimed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US claimed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP claimed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO claimed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885LMNA 2198/4885MAPT 841/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.